1-(2,5-dimethoxy-4-nitro-phenyl)butan-2-amine

Systemtic Name: 1-(2,5-dimethoxy-4-nitro-phenyl)butan-2-amine Openeye Name: 1-(2,5-dimethoxy-4-nitro-phenyl)butan-2-amine CAS Name: 1-(2,5-dimethoxy-4-nitrophenyl)-2-butanamine IUPAC Name: 1-(2,5-dimethoxy-4-nitrophenyl)butan-2-amine Traditional Name: 1-(2,5-dimethoxy-4-nitro-benzyl)propylamine Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=C(C=C1OC)[N+](=O)[O-])OC)N

Isomeric SMILES

CCC(CC1=CC(=C(C=C1OC)[N+](=O)[O-])OC)N

InChI

InChI=1S/C12H18N2O4/c1-4-9(13)5-8-6-12(18-3)10(14(15)16)7-11(8)17-2/h6-7,9H,4-5,13H2,1-3H3